Phosphonothioic acid, phenyl-, O-methyl ester
TL;DR: Phosphonothioic acid, phenyl-, O-methyl ester (CAS 42976-67-0) is a chemical compound with molecular formula C7H9O2PS and molecular weight 188.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hydroxy-methoxy-phenyl-sulfanylidene-λ5-phosphane
Also Known As: o-methyl phenylphosphonothioic acid, Methoxyphenylhydroxyphosphine sulfide, hydroxy-methoxy-phenyl-sulfanylidene-, Phenyl-phosphonothioic acid methylester, Phenylphosphonothioic acid methyl ester
| Molecular Formula | C7H9O2PS |
|---|---|
| Molecular Weight | 188.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.00609 |
| Heavy Atoms | 11 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 42976-67-0 |
|---|---|
| SMILES | COP(=S)(C1=CC=CC=C1)O |
| InChIKey | KFISZMLSFAUKCR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphonothioic acid, phenyl-, O-methyl ester (CAS 42976-67-0), with molecular formula C7H9O2PS and molecular weight 188.01 g/mol. IUPAC: hydroxy-methoxy-phenyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphonothioic acid, phenyl-, O-methyl ester
Property Insights of Phosphonothioic acid, phenyl-, O-methyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonothioic acid, phenyl-, O-methyl ester. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphonothioic acid, phenyl-, O-methyl ester. Following Lipinski's Rule of Five, Phosphonothioic acid, phenyl-, O-methyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phosphonothioic acid, phenyl-, O-methyl ester?
The CAS number of Phosphonothioic acid, phenyl-, O-methyl ester is 42976-67-0.
What is the molecular formula of Phosphonothioic acid, phenyl-, O-methyl ester?
The molecular formula of Phosphonothioic acid, phenyl-, O-methyl ester is C7H9O2PS.
What is the molecular weight of Phosphonothioic acid, phenyl-, O-methyl ester?
The molecular weight of Phosphonothioic acid, phenyl-, O-methyl ester is 188.01 g/mol.
Where can I buy Phosphonothioic acid, phenyl-, O-methyl ester?
You can request a quote for Phosphonothioic acid, phenyl-, O-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonothioic acid, phenyl-, O-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonothioic acid, phenyl-, O-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.